ChemSpider 2D Image | N,N-Diethyl-4-{[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]amino}benzenesulfonamide | C24H34N6O4S

N,N-Diethyl-4-{[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]amino}benzenesulfonamide

  • Molecular FormulaC24H34N6O4S
  • Average mass502.630 Da
  • Monoisotopic mass502.236237 Da
  • ChemSpider ID12047303

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzenesulfonamide, N,N-diethyl-4-[[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]amino]- [ACD/Index Name]
N,N-Diethyl-4-{[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]amino}benzenesulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-4-{[5-nitro-6-(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
N,N-Diethyl-4-{[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
N,N-Diethyl-4-{[5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)pyrimidin-4-yl]amino}benzenesulfonamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 634.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.5±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 69434.93
ACD/KOC (pH 5.5): 101299.80
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70314.51
ACD/KOC (pH 7.4): 102583.02
Polar Surface Area: 133 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 394.2±3.0 cm3

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